methyl 5-amino-3-(dimethylamino)-1-propylpyrazole-4-carboxylate

C10H18N4O2 — CID 102808706

IUPACmethyl 5-amino-3-(dimethylamino)-1-propylpyrazole-4-carboxylate
SMILESCCCn1nc(N(C)C)c(C(=O)OC)c1N
InChIInChI=1S/C10H18N4O2/c1-5-6-14-8(11)7(10(15)16-4)9(12-14)13(2)3/h5-6,11H2,1-4H3
InChIKeySVZHFHJGKOOLNM-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.73
Rot. Bonds4

About methyl 5-amino-3-(dimethylamino)-1-propylpyrazole-4-carboxylate

methyl 5-amino-3-(dimethylamino)-1-propylpyrazole-4-carboxylate (PubChem CID 102808706) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is methyl 5-amino-3-(dimethylamino)-1-propylpyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-3-(dimethylamino)-1-propylpyrazole-4-carboxylate
PubChem CID102808706
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Namemethyl 5-amino-3-(dimethylamino)-1-propylpyrazole-4-carboxylate
SMILESCCCn1nc(N(C)C)c(C(=O)OC)c1N
InChIInChI=1S/C10H18N4O2/c1-5-6-14-8(11)7(10(15)16-4)9(12-14)13(2)3/h5-6,11H2,1-4H3
InChIKeySVZHFHJGKOOLNM-UHFFFAOYSA-N
XLogP0.73
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-3-(dimethylamino)-1-(2-hydroxyethyl)pyrazole-4-carboxylate
CID 102808136
methyl 5-amino-3-piperazin-1-yl-1-propylpyrazole-4-carboxylate
CID 102808721
methyl 5-amino-3-[ethyl(methyl)amino]-1-pentan-3-ylpyrazole-4-carboxylate
CID 102808860
methyl 5-amino-1,4-dipropylpyrazole-3-carboxylate
CID 165475313
methyl 5-amino-3-(3-hydroxypiperidin-1-yl)-1-propylpyrazole-4-carboxylate
CID 102808709
methyl 5-amino-1-propyl-4-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate
CID 165485668
methyl 5-amino-3-(cyclopropylamino)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate
CID 102808980
ethyl 5-amino-4-methyl-1-propylpyrazole-3-carboxylate
CID 165463383
methyl 5-amino-3-(cyclobutylamino)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate
CID 102808982
methyl 5-amino-1-cyclohexyl-3-[ethyl(methyl)amino]pyrazole-4-carboxylate
CID 102808760
methyl 5-amino-1-butyl-3-(1-cyclopropylethylamino)pyrazole-4-carboxylate
CID 102808792
methyl 5-amino-1-butyl-3-(oxan-4-ylamino)pyrazole-4-carboxylate
CID 102808783

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-3-(dimethylamino)-1-propylpyrazole-4-carboxylate?
The IUPAC name of methyl 5-amino-3-(dimethylamino)-1-propylpyrazole-4-carboxylate (CID 102808706) is methyl 5-amino-3-(dimethylamino)-1-propylpyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-3-(dimethylamino)-1-propylpyrazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-3-(dimethylamino)-1-propylpyrazole-4-carboxylate is CCCn1nc(N(C)C)c(C(=O)OC)c1N.
What is the InChIKey of methyl 5-amino-3-(dimethylamino)-1-propylpyrazole-4-carboxylate?
The InChIKey is SVZHFHJGKOOLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-5-6-14-8(11)7(10(15)16-4)9(12-14)13(2)3/h5-6,11H2,1-4H3.
What are the key properties of methyl 5-amino-3-(dimethylamino)-1-propylpyrazole-4-carboxylate?
methyl 5-amino-3-(dimethylamino)-1-propylpyrazole-4-carboxylate has a molecular weight of 226.28 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-3-(dimethylamino)-1-propylpyrazole-4-carboxylate is sourced from PubChem (CID 102808706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).